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BioLiP Library

PDB CCD ID: RUA
Number of entries in BioLiP: 2
Chemical formula: C32 H56 N6 Ru
InChI: InChI=1S/C12H20N2.2C10H18N2.Ru/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3,10-12H,4-8H2,1-2H3;2*9-10H,1-8H2;/q3*-2;+6/t10-,11?,12?;2*9-,10?;/m011./s1
InChIKey: YAYKSGBDMCLSRX-YMKCNCASSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH]1CCN2[CH](C1)[CH]3CC(=CCN3[Ru]245(N6CCCC[CH]6[CH]7CCCCN47)N8CCCC[CH]8[CH]9CCCCN59)C
CACTVS 3.341C[C@H]1CCN2[C@@H](C1)[C@@H]3CC(=CCN3[Ru]245(N6CCCC[C@@H]6[C@@H]7CCCCN47)N8CCCC[C@@H]8[C@H]9CCCCN59)C
OpenEye OEToolkits 1.5.0CC1CCN2C(C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)N8CCCCC8C9N5CCCC9)C
ACDLabs 10.04N92C(C1N(CCC(C1)C)[Ru]258(N3CCCCC3C4N5CCCC4)N6CCCCC6C7N8CCCC7)CC(=CC9)C
Name:(4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-BIPYRIDINE)
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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